smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(-c2nc3cc(-c4nc5cc(N6CCN(C)CC6)ccc5[nH]4)ccc3[nH]2)c1 ZINC000013652036 569398988 /nfs/dbraw/zinc/39/89/88/569398988.db2.gz QGOKBFIFCYHFRH-UHFFFAOYSA-N 0 3 422.536 4.833 30 0 HJACHN Cc1cccc(-c2nc3ccc(-c4nc5cc(N6CCN(C)CC6)ccc5[nH]4)cc3[nH]2)c1 ZINC000013652036 569398989 /nfs/dbraw/zinc/39/89/89/569398989.db2.gz QGOKBFIFCYHFRH-UHFFFAOYSA-N 0 3 422.536 4.833 30 0 HJACHN Cc1ccc(-c2nc3cc(-c4nc5cc(N6CCN(C)CC6)ccc5[nH]4)ccc3[nH]2)cc1 ZINC000013652037 569398922 /nfs/dbraw/zinc/39/89/22/569398922.db2.gz SISCTNULNFGYKU-UHFFFAOYSA-N 0 3 422.536 4.833 30 0 HJACHN Cc1ccc(-c2nc3ccc(-c4nc5cc(N6CCN(C)CC6)ccc5[nH]4)cc3[nH]2)cc1 ZINC000013652037 569398923 /nfs/dbraw/zinc/39/89/23/569398923.db2.gz SISCTNULNFGYKU-UHFFFAOYSA-N 0 3 422.536 4.833 30 0 HJACHN